N-propan-2-yl-N-propylcarbamoyl chloride

C7H14ClNO — CID 22371097

IUPACN-propan-2-yl-N-propylcarbamoyl chloride
SMILESCCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C7H14ClNO/c1-4-5-9(6(2)3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyKMTHFGHAXJWFLL-UHFFFAOYSA-N
MW163.65 g/mol
LogP2.47
Rot. Bonds3

About N-propan-2-yl-N-propylcarbamoyl chloride

N-propan-2-yl-N-propylcarbamoyl chloride (PubChem CID 22371097) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-propan-2-yl-N-propylcarbamoyl chloride.

Molecular Properties

Compound NameN-propan-2-yl-N-propylcarbamoyl chloride
PubChem CID22371097
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-propan-2-yl-N-propylcarbamoyl chloride
SMILESCCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C7H14ClNO/c1-4-5-9(6(2)3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyKMTHFGHAXJWFLL-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Diethylcarbamoyl chloride
CID 6916
Diisopropylcarbamoyl chloride
CID 87890
Dipropylcarbamoyl chloride
CID 3015348
Di-sec-butylcarbamoyl chloride
CID 3015862
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-butyl-N-methylcarbamoyl chloride
CID 14673135
N-methyl-N-propylcarbamoyl chloride
CID 15040338
N-butyl-N-ethylcarbamoyl chloride
CID 15338770
N-cyclopropyl-N-methylcarbamoyl chloride
CID 19070630
N-cyclopropyl-N-ethylcarbamoyl chloride
CID 19070648
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
N-methyl-N-(propan-2-yl)carbamoyl chloride
CID 21956030

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propylcarbamoyl chloride?
The IUPAC name of N-propan-2-yl-N-propylcarbamoyl chloride (CID 22371097) is N-propan-2-yl-N-propylcarbamoyl chloride.
What is the SMILES notation for N-propan-2-yl-N-propylcarbamoyl chloride?
The canonical SMILES for N-propan-2-yl-N-propylcarbamoyl chloride is CCCN(C(=O)Cl)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propylcarbamoyl chloride?
The InChIKey is KMTHFGHAXJWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-5-9(6(2)3)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-N-propylcarbamoyl chloride?
N-propan-2-yl-N-propylcarbamoyl chloride has a molecular weight of 163.65 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylcarbamoyl chloride is sourced from PubChem (CID 22371097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).